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477766-89-5

477766-89-5 structural image
Product Name: 3,9A-DIMETHYL-4-(4-NITROPHENYL)-3A,4,9,9A-TETRAHYDRO-1H-PYRAZOLO[3,4-D][1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Formula: C14H15N7O2
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COMPUTED DESCRIPTORS

Molecular Weight 313.31 g/mol
XLogP3 1.8
Hydrogen Bond Donor Count 2
Hydrogen Bond Acceptor Count 7
Rotatable Bond Count 1
Exact Mass 313.12872275 g/mol
Monoisotopic Mass 313.12872275 g/mol
Topological Polar Surface Area 113 Ų
Heavy Atom Count 23
Formal Charge 0
Complexity 528
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 3
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes